SCHEMBL4494978

SCHEMBL4494978

CN(C)CCN(c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 13/20 0.35
CPT1B Q92523 13/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
CPT2 P23786 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4494982 1.00 CPT1A (0.35) CPT1ACPT1BKDM4EMAPTMEN1
SCHEMBL4494487 0.95 CPT1A (0.36) CPT1ACPT1BKDM4EMAPTMEN1
SCHEMBL4497689 0.95 CPT1A (0.36) CPT1ACPT1BKDM4EMAPTMEN1
SCHEMBL225348 0.92 CPT1A (0.35) CPT1ACPT1BKDM4EMAPTMEN1
SCHEMBL225347 0.92 CPT1A (0.35) CPT1ACPT1BKDM4EMAPTMEN1
SCHEMBL4498601 0.92 KMT2A (0.35) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL4498605 0.92 KMT2A (0.35) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL4487192 0.91 CPT1A (0.35) CPT1ACPT1BKDM4EMAPTCPT2
SCHEMBL4487188 0.91 CPT1A (0.35) CPT1ACPT1BKDM4EMAPTCPT2
SCHEMBL226775 0.91 BACE1 (0.35) KDM4EMAPTMEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CPT1A 1291/4885CPT1B 2676/4885KDM4E 1648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.